HETEROGENEOUS ENANTIOSELECTIVE CATALYSTS - CAN MOLECULAR SIMULATION TECHNIQUES AID THE DESIGN OF IMPROVED CATALYSTS

Authors
HUTCHINGS GJ WILLOCK DJ
Citation
Gj. Hutchings et Dj. Willock, HETEROGENEOUS ENANTIOSELECTIVE CATALYSTS - CAN MOLECULAR SIMULATION TECHNIQUES AID THE DESIGN OF IMPROVED CATALYSTS, Topics in catalysis, 5(1-4), 1998, pp. 177-185
Citations number
43
Categorie Soggetti
Chemistry Physical","Chemistry Applied
Journal title
Topics in catalysis → ACNP
ISSN journal
10225528
Volume
5
Issue
1-4
Year of publication
1998
Pages
177 - 185
Database
ISI
SICI code
1022-5528(1998)5:1-4<177:HEC-CM>2.0.ZU;2-3
Abstract
The purpose of this paper is to review the use of molecular simulation techniques in the study of enantioselective heterogeneous catalysts. In particular we focus our attention on the use of molecular simulatio n in two well studied systems; (a) enantioselective hydrogenation of a lpha-ketoesters using modified metal catalysts and (b) the enantiosele ctive dehydration of alcohols using modified zeolites.